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Injection profiles in liquid chromatography II: Predicting accurate injection-profiles for computer-assisted preparative optimizations
Karlstad University, Faculty of Technology and Science, Department of Chemistry and Biomedical Sciences.
Uppsala University.
Karlstad University, Faculty of Technology and Science, Department of Chemistry and Biomedical Sciences.ORCID iD: 0000-0003-1819-1709
Karlstad University, Faculty of Technology and Science, Department of Chemistry and Biomedical Sciences.ORCID iD: 0000-0002-7123-2066
2011 (English)In: Journal of Chromatography A, ISSN 0021-9673, E-ISSN 1873-3778, Vol. 1218, no 34, p. 5794-5800Article in journal (Refereed) Published
Abstract [en]

In computer assisted optimization of liquid chromatography it has been known for some years that it is important to use experimental injection profiles, instead of rectangular ones, in order to calculate accurate elution bands. However, the incorrectly assumed rectangular profiles are still mostly used especially in numerical optimizations. The reason is that the acquisition of injection profiles, for each injection volume and each flow rate considered in a computer-assisted optimization requires a too large number of experiments. In this article a new function is proposed, which enables highly accurate predictions of the injection profiles and thus more accurate computer optimizations, with a minimum experimental effort. To model the injection profiles for any injection volume at a constant flow rate, as few as two experimental injection profiles are required. If it is desirable to also take the effect of flow rate on the injection profiles into account, then just two additional experiments are required. The overlap between fitted and experimental injection profiles at different flow rates and different injection volumes were excellent, more than 90%, using experimental injection profiles from just four different injection volumes at two different flow rates. Moreover, it was demonstrated that the flow rate has a minor influence on the injection profiles and that the injection volume is the main parameter that needs to be accounted for.

Place, publisher, year, edition, pages
Amsterdam: Elsevier, 2011. Vol. 1218, no 34, p. 5794-5800
Keywords [en]
Exponentially modified Gaussian, Exponentially modified Gaussian, Injection profile, Injection profile, Modeling, Modeling, Optimization, Optimization, Preparative chromatography, preparative chromatography, Simulation, Simulation
National Category
Analytical Chemistry
Research subject
Chemistry
Identifiers
URN: urn:nbn:se:kau:diva-15245DOI: 10.1016/j.chroma.2011.06.063ISI: 000294143400007PubMedID: 21782187OAI: oai:DiVA.org:kau-15245DiVA, id: diva2:562024
Note

ID - 458

Available from: 2012-10-23 Created: 2012-10-23 Last updated: 2019-07-12Bibliographically approved

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Publisher's full textPubMedhttp://www.sciencedirect.com/science/article/pii/S0021967311008788Electronic full texthttp://files/343/Forssén et al. - 2011 - Injection profiles in liquid chromatography II Pr.pdf

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Forssén, PatrikSamuelsson, JörgenFornstedt, Torgny

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